# Fileset

[vasp-settings.tar.lzma](https://mdr.nims.go.jp/filesets/01a5d9c4-2287-4f51-8648-d92dd3d33ec6/download)

## Creator

[Atsushi Togo](https://orcid.org/0000-0001-8393-9766)

## Rights

Creative Commons Attribution 4.0 International[Creative Commons BY Attribution 4.0 International](https://creativecommons.org/licenses/by/4.0/)

## Other metadata

[Ab-initio phonon calculation for Sr3As4 / Fdd2 (43) / materials id 15339](https://mdr.nims.go.jp/datasets/d5f91c3c-7c81-4526-8864-748779d14de1)

## Fulltext

vasp-settings/KPOINTS-forceAutomatic mesh0Gamma     1     1     2 0.000 0.000 0.000vasp-settings/PAW_dataset.txt    <rc><c>  64</c><c>As</c><c>     74.92200000</c><c>     15.00000000</c><c>  PAW_PBE As_d 11Apr2003                </c></rc>    <rc><c>  48</c><c>Sr</c><c>     87.62000000</c><c>     10.00000000</c><c>  PAW_PBE Sr_sv 07Sep2000               </c></rc>vasp-settings/INCAR-relax      PREC = Accurate       GGA = PS    IBRION = 2       NSW = 20    NELMIN = 5      ISIF = 3     ENCUT = 375.246300     EDIFF = 1.000000e-08    EDIFFG = -1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/POSCAR-unitcell As Sr   1.0    14.7317495500000000    0.0000000000000000    0.0000000000000000     0.0000000000000000   17.7453405699999998    0.0000000000000000     0.0000000000000000    0.0000000000000000    5.9381861799999998 As Sr  32  24Direct   0.1639224900000000  0.2525644100000000  0.4974227900000000   0.3360775100000000  0.2474355900000000  0.4974227900000000   0.0860775100000000  0.0025644100000000  0.2474227900000000   0.4139224900000000  0.4974355900000000  0.2474227900000000   0.4153744800000000  0.3302615600000000  0.7678637300000000   0.0846255200000000  0.1697384400000000  0.7678637300000000   0.1653744800000000  0.4197384400000000  0.0178637300000000   0.3346255200000000  0.0802615600000000  0.0178637300000000   0.1639224900000000  0.7525644100000000  0.9974227900000000   0.3360775100000000  0.7474355900000000  0.9974227900000000   0.0860775100000000  0.5025644100000000  0.7474227900000000   0.4139224900000000  0.9974355900000000  0.7474227900000000   0.4153744800000000  0.8302615600000001  0.2678637300000000   0.0846255200000000  0.6697384399999999  0.2678637300000000   0.1653744800000000  0.9197384400000000  0.5178637300000000   0.3346255200000000  0.5802615600000001  0.5178637300000000   0.6639224900000000  0.2525644100000000  0.9974227900000000   0.8360775100000000  0.2474355900000000  0.9974227900000000   0.5860775100000000  0.0025644100000000  0.7474227900000000   0.9139224900000000  0.4974355900000000  0.7474227900000000   0.9153744800000000  0.3302615600000000  0.2678637300000000   0.5846255200000000  0.1697384400000000  0.2678637300000000   0.6653744800000000  0.4197384400000000  0.5178637300000000   0.8346255200000000  0.0802615600000000  0.5178637300000000   0.6639224900000000  0.7525644100000000  0.4974227900000000   0.8360775100000000  0.7474355900000000  0.4974227900000000   0.5860775100000000  0.5025644100000000  0.2474227900000000   0.9139224900000000  0.9974355900000000  0.2474227900000000   0.9153744800000000  0.8302615600000001  0.7678637300000000   0.5846255200000000  0.6697384399999999  0.7678637300000000   0.6653744800000000  0.9197384400000000  0.0178637300000000   0.8346255200000000  0.5802615600000001  0.0178637300000000   0.4978321200000000  0.1671397400000000  0.7761237800000000   0.0021678800000000  0.3328602600000000  0.7761237800000000   0.2521678800000000  0.4171397400000000  0.5261237800000000   0.2478321200000000  0.0828602600000000  0.5261237800000000   0.2500000000000000  0.2500000000000000  0.9979794000000000   0.0000000000000000  0.5000000000000000  0.2479794000000000   0.4978321200000000  0.6671397400000000  0.2761237800000000   0.0021678800000000  0.8328602600000000  0.2761237800000000   0.2521678800000000  0.9171397400000000  0.0261237800000000   0.2478321200000000  0.5828602600000000  0.0261237800000000   0.2500000000000000  0.7500000000000000  0.4979794000000000   0.0000000000000000  0.0000000000000000  0.7479794000000000   0.9978321200000000  0.1671397400000000  0.2761237800000000   0.5021678800000000  0.3328602600000000  0.2761237800000000   0.7521678800000000  0.4171397400000000  0.0261237800000000   0.7478321200000000  0.0828602600000000  0.0261237800000000   0.7500000000000000  0.2500000000000000  0.4979794000000000   0.5000000000000000  0.5000000000000000  0.7479794000000000   0.9978321200000000  0.6671397400000000  0.7761237800000000   0.5021678800000000  0.8328602600000000  0.7761237800000000   0.7521678800000000  0.9171397400000000  0.5261237800000000   0.7478321200000000  0.5828602600000000  0.5261237800000000   0.7500000000000000  0.7500000000000000  0.9979794000000000   0.5000000000000000  0.0000000000000000  0.2479794000000000vasp-settings/INCAR-force      PREC = Accurate       GGA = PS    IBRION = -1    NELMIN = 5     ENCUT = 375.246300     EDIFF = 1.000000e-08    ISMEAR = 0     SIGMA = 1.000000e-02     IALGO = 38     LREAL = .FALSE.   ADDGRID = .TRUE.     LWAVE = .FALSE.    LCHARG = .FALSE.      NPAR = 4vasp-settings/KPOINTS-relaxAutomatic mesh0Gamma     1     1     3 0.000 0.000 0.000